propan-2-yl N-(4-amino-4-oxobutan-2-yl)carbamate

C8H16N2O3 — CID 116657976

IUPACpropan-2-yl N-(4-amino-4-oxobutan-2-yl)carbamate
SMILESCC(CC(N)=O)NC(=O)OC(C)C
InChIInChI=1S/C8H16N2O3/c1-5(2)13-8(12)10-6(3)4-7(9)11/h5-6H,4H2,1-3H3,(H2,9,11)(H,10,12)
InChIKeyKAIDVDFFKGSLIV-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.38
Rot. Bonds4

About propan-2-yl N-(4-amino-4-oxobutan-2-yl)carbamate

propan-2-yl N-(4-amino-4-oxobutan-2-yl)carbamate (PubChem CID 116657976) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is propan-2-yl N-(4-amino-4-oxobutan-2-yl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(4-amino-4-oxobutan-2-yl)carbamate
PubChem CID116657976
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Namepropan-2-yl N-(4-amino-4-oxobutan-2-yl)carbamate
SMILESCC(CC(N)=O)NC(=O)OC(C)C
InChIInChI=1S/C8H16N2O3/c1-5(2)13-8(12)10-6(3)4-7(9)11/h5-6H,4H2,1-3H3,(H2,9,11)(H,10,12)
InChIKeyKAIDVDFFKGSLIV-UHFFFAOYSA-N
XLogP0.38
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl N-(4-aminobutan-2-yl)carbamate
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propan-2-yl N-(5-aminohexan-2-yl)carbamate
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phenyl N-(4-amino-4-oxobutan-2-yl)carbamate
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CID 178036338
CID 178036338
ethyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate
CID 167448544
3-(methylcarbamothioylamino)butanamide
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(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-acetamidobutanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanamide
CID 100933689
propan-2-yl N-[1-(4-aminophenyl)propan-2-yl]carbamate
CID 20667102
propan-2-yl 3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 22406400
3-(tert-butylcarbamoylamino)butanamide
CID 115695141
3-(diethylcarbamoylamino)butanamide
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methyl (2S)-3-amino-2-(propan-2-yloxycarbonylamino)propanoate
CID 87499575

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(4-amino-4-oxobutan-2-yl)carbamate?
The IUPAC name of propan-2-yl N-(4-amino-4-oxobutan-2-yl)carbamate (CID 116657976) is propan-2-yl N-(4-amino-4-oxobutan-2-yl)carbamate.
What is the SMILES notation for propan-2-yl N-(4-amino-4-oxobutan-2-yl)carbamate?
The canonical SMILES for propan-2-yl N-(4-amino-4-oxobutan-2-yl)carbamate is CC(CC(N)=O)NC(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-(4-amino-4-oxobutan-2-yl)carbamate?
The InChIKey is KAIDVDFFKGSLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-5(2)13-8(12)10-6(3)4-7(9)11/h5-6H,4H2,1-3H3,(H2,9,11)(H,10,12).
What are the key properties of propan-2-yl N-(4-amino-4-oxobutan-2-yl)carbamate?
propan-2-yl N-(4-amino-4-oxobutan-2-yl)carbamate has a molecular weight of 188.23 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(4-amino-4-oxobutan-2-yl)carbamate is sourced from PubChem (CID 116657976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).